Thomas-Fermi Theory of the Hyperfine Constants of Endohedral Fullerene Atoms

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dc.creatorSchrier, Joshua
dc.creatorWhaley, K. Birgitta
dc.date2004-10-22
dc.date.accessioned2026-07-25T15:43:04Z
dc.descriptionWe present a modified Thomas-Fermi theory that describes the increase of the hyperfine coupling constants of endohedrally enclosed atoms. We use the March boundary conditions corresponding to a positively charged spherical shell surrounding the nuclear potential to represent the effect of the fullerene shell. We obtain quantitative agreement with experimental data for N@C$_{60}$ and N@C$_{70}$, and find that fullerene radius dominates over the fullerene charge in its effect on the hyperfine coupling constants. We also present predictions for the hyperfine coupling constants of the endohedral nitrogen fullerenes between C$_{60}$ and C$_{500}$, and discuss the implications for proposed quantum computing schemes.
dc.description10 pages, 3 figures. Submitted J. Chem. Phys
dc.identifierhttps://arxiv.org/abs/cond-mat/0410566
dc.identifierhttp://arxiv.org/abs/cond-mat/0410566
dc.identifier.urihttps://dspace.dare.co.zw/handle/123456789/36319
dc.subjectDisordered Systems and Neural Networks
dc.subjectOther Condensed Matter
dc.titleThomas-Fermi Theory of the Hyperfine Constants of Endohedral Fullerene Atoms
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